tris(4-chlorophenyl)-difluorosilanuide

C18H12Cl3F2Si- — CID 11305236

IUPACtris(4-chlorophenyl)-difluorosilanuide
SMILESF[Si-](F)(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl3F2Si/c19-13-1-7-16(8-2-13)24(22,23,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H/q-1
InChIKeyYTUSQQBMPJGEDZ-UHFFFAOYSA-N
MW400.74 g/mol
LogP5.00
Rot. Bonds3

About tris(4-chlorophenyl)-difluorosilanuide

tris(4-chlorophenyl)-difluorosilanuide (PubChem CID 11305236) has the molecular formula C18H12Cl3F2Si- and a molecular weight of 400.74 g/mol. Its IUPAC name is tris(4-chlorophenyl)-difluorosilanuide.

Molecular Properties

Compound Nametris(4-chlorophenyl)-difluorosilanuide
PubChem CID11305236
Molecular FormulaC18H12Cl3F2Si-
Molecular Weight400.74 g/mol
Exact Mass398.97
IUPAC Nametris(4-chlorophenyl)-difluorosilanuide
SMILESF[Si-](F)(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl3F2Si/c19-13-1-7-16(8-2-13)24(22,23,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H/q-1
InChIKeyYTUSQQBMPJGEDZ-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.74
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

azane;1,4-dichlorobenzene
CID 69330361
tris(4-chlorophenyl)phosphanium
CID 23413716
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1,4-dichlorobenzene;formonitrile
CID 174444870
1,4-dichlorobenzene;trichloroalumane
CID 174756083
1-chloro-4-tritylbenzene
CID 14737307
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
1-chloro-4-[dichloro(phenyl)methyl]benzene
CID 11000180
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
5-(4-chlorophenyl)-2-fluorobenzonitrile
CID 164513732
bis(4-chlorophenyl)-phenylmethanamine
CID 134589032
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652

Frequently Asked Questions

What is the IUPAC name of tris(4-chlorophenyl)-difluorosilanuide?
The IUPAC name of tris(4-chlorophenyl)-difluorosilanuide (CID 11305236) is tris(4-chlorophenyl)-difluorosilanuide.
What is the SMILES notation for tris(4-chlorophenyl)-difluorosilanuide?
The canonical SMILES for tris(4-chlorophenyl)-difluorosilanuide is F[Si-](F)(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of tris(4-chlorophenyl)-difluorosilanuide?
The InChIKey is YTUSQQBMPJGEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3F2Si/c19-13-1-7-16(8-2-13)24(22,23,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H/q-1.
What are the key properties of tris(4-chlorophenyl)-difluorosilanuide?
tris(4-chlorophenyl)-difluorosilanuide has a molecular weight of 400.74 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-chlorophenyl)-difluorosilanuide is sourced from PubChem (CID 11305236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).